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Compound Detail

CHEMBL2078875

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NC(=O)Nc1sc(-c2ccc(Cl)c(Cl)c2)cc1C(=O)N[C@H]1CCCNC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2078875
Phase Preclinical
Structure Type MOL
InChI Key LDNBXCSYCDEWSM-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.3
MW (Da)
3.69
ALogP
4
HBA
4
HBD
96.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18Cl2N4O2S
MW 413.33
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine